• CAS No.:91-15-6
Other grades of this product :
Phthalonitrile Basic information
Product Name:Phthalonitrile
Synonyms:o-pdn[qr];o-phthalodinitrile[qr];Phthalonitrile,98%;PHTHALONITRILE (1,2-DICYANOBENZENE);benzene-1,2-dicarbonitrile;1,2-Dicyanobenzene/Phthalonitrile;2-Phthalodinitrile;Benzene-1,2-dicarbonitrile~1,2-Dicyanobenzene
Product Categories:Building Blocks;C8 to C9;Organics;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Industrial/Fine Chemicals;Functional Materials;Phthalonitriles & Naphthalonitriles;Phthalonitriles (Building Blocks for Phthalocyanines);C8 to C9;Cyanides/Nitriles;Nitrogen Compounds;Pharmaceutical intermediates
Mol File:91-15-6.mol
Phthalonitrile Chemical Properties
Melting point 137-139 °C (lit.)
Boiling point 227.54°C (rough estimate)
density 1.24
vapor pressure <1 Pa (25 °C)
refractive index 1.6231 (estimate)
Fp 162°C
storage temp. Store below +30°C.
solubility benzene: 50 mg/mL, clear
form Crystals or Crystalline Powder
color White to beige
PH7 (H2O)
Water Solubility 0.56 g/L (25 ºC)
BRN 775028
Exposure limitsACGIH: TWA 1 mg/m3
Stability:Stable. Incompatible with strong bases, strong acids, strong oxidizing agents, strong reducing agents.
CAS DataBase Reference91-15-6(CAS DataBase Reference)
NIST Chemistry ReferencePhthalonitrile(91-15-6)
EPA Substance Registry System1,2-Benzenedicarbonitrile (91-15-6)
Safety Information
Hazard Codes T
Risk Statements 25-23/24/25
Safety Statements 36/37/39-45-28A
RIDADR UN 3439 6.1/PG 2
WGK Germany 1
RTECS TI8575000
Autoignition Temperature>580 °C
HazardClass 6.1
PackingGroup II
HS Code 29269095
Hazardous Substances Data91-15-6(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 85 mg/kg
MSDS Information
o-Phthalodinitrile English
SigmaAldrich English
ACROS English
ALFA English
Phthalonitrile Usage And Synthesis
Chemical PropertiesPhthalonitrile is a crystalline powder having a faint grayish yellow color and a slighty aromatic odor, similar to benzonitrile. Phthalonitrile was first described in 1896 when it was isolated during the diazotization of 2-aminobenzonitrile. The compound is sparingly soluble in water (ca. 1 g/L) and soluble in acetone, nitrobenzene, and benzonitrile. It cannot be distilled and polymerizes if heated above the melting point. It is not explosive and is difficult to ignite, but the dust can explode.
usesPhthalonitrile is used as a starting material for producing phthalocyanine pigments (→ Phthalocyanines), fluorescent brightners, and photographic sensitizers.
UsesPhthalonitrile is used as an intermediate for chemical synthesis in the production of building blocks for colorants and coatings, life science and agricultural chemicals.?And also used as a precursor to phthalocyanine and other pigments, fluorescent brighteners, and photographic sensitizers.
PreparationPhthalonitrile can be produced from phthalic acid, phthalic anhydride, phthalamide, or phthalimide by reaction with ammonia and elimination of water at 300–500°C in the gas phase in the presence of a catalyst. In a single-stage continuous process, o-xylene is converted to phthalonitrile by reaction with ammonia and oxygen in the gas phase in a fluidized-bed reactor. Generally, metal oxide mixtures containing vanadium, antimony, chromium, and molybdenum, with further active components such as iron, tungsten, and alkali-metal oxides, on an alumina or silica support are used as catalysts.
ReactionsThe route from o-phthalodinitrile can be represented 4C8H4N2 +M → MPc, where M is a bivalent metal, metal halide, metal alcoholate, or an equivalent amount of metal of valence other than two in a 4:1 molar ratio.
Flammability and ExplosibilityNotclassified
Safety ProfilePoison by ingestion, subcutaneous, and intraperitoneal routes. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of CN- and NOx. See also NITRILES.
Purification MethodsCrystallise the nitrile from EtOH, toluene or *benzene. It has also been distilled under high vacuum. It is steam volatile. [Beilstein 9 H 815, 9 II 602, 9 III 4199, 9 IV 3268.]


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